8-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1,2-dihydroxy-ethyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1,2-dihydroxyethyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[2-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)-1,2-dihydroxyethyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[2-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)-1,2-dihydroxy-ethyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C16H18N8O6 MolecularWeight: 418.36412

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(C(C3=NC4=C(N3)C(=O)N(C(=O)N4C)C)O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C(C(C3=NC4=C(N3)C(=O)N(C(=O)N4C)C)O)O

InChI

InChI=1S/C16H18N8O6/c1-21-11-5(13(27)23(3)15(21)29)17-9(19-11)7(25)8(26)10-18-6-12(20-10)22(2)16(30)24(4)14(6)28/h7-8,25-26H,1-4H3,(H,17,19)(H,18,20)